SCHEMBL25947637

SCHEMBL25947637

Cc1cc(OCc2ccccc2)ccc1Oc1nc(Cl)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ BAK1 Q16611 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PPARD Q03181 3/20 0.41
▸ PPARG P37231 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phosphine SCHEMBL25950907 0.84 PIN1 (0.41) PIN1ALOX5CYP3A4PDGFRBPDGFRA
SCHEMBL29172293 0.83 PIN1 (0.43) PIN1ALOX5CYP3A4PDGFRBPDGFRA
SCHEMBL30875700 0.83 PIN1 (0.43) PIN1ALOX5CYP3A4PDGFRBPDGFRA
SCHEMBL25947566 0.77 PRKDC (0.44) ALOX5MRGPRX4NPC1RAB9AMEN1
SCHEMBL25947639 0.77 ALDH1A1 (0.38) PIN1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL25947633 0.76 PIN1 (0.46) PIN1NPC1RAB9AMEN1KMT2A
SCHEMBL1439758 0.76 PPARD (0.58) ALOX5MRGPRX4NPC1RAB9APPARD
SCHEMBL9987642 0.75 PIN1 (0.59) PIN1MCL1BAK1STAT3HTT
SCHEMBL9306893 0.74 MRGPRX4 (0.68) ALOX5MRGPRX4MCL1NPC1RAB9A
SCHEMBL13802180 0.73 MAOB (0.60) ALOX5PDGFRBPDGFRANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 PIN1 2482/4885ALOX5 3774/4885CYP3A4 2010/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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